[Wien] WIEN2k on Xeon 5500 Series

[Gavin Abo]

Hi Aaron,

If you have been following some of the recent mailing list posts, I 
think this error is because of the intel compiler.  I had the same or 
similar error with update 6.  I never tried update 7, but it sounds like 
the compiler does not seem to be compiling the Wien2k code correctly 
like update 6.  Try update 3 of Intel FORTRAN compiler & MKL
library, which should be composerxe-2011.3.174.

Gavin

On 11/10/2011 2:31 PM, Aaron Sutton wrote:
> Hi,
> I am experiencing a segmentation fault when running WIEN2k compiled
> using the most recent version of the Intel FORTRAN compiler&  MKL
> library (composer_xe_2011_sp1.7.256). The computer it's being run on
> is a 2009 Mac Pro with 2 quad core intel xeon 5500 series processors
> at 2.93GHz and 8GB RAM. The computer is natively running Ubuntu Linux
> 11.10 (though the same issue occurred while running 11.04). WIEN2k is
> compiled using the default flags and links provided by the Linux with
> Intel FORTRAN v12.0 + MKL option of siteconfig_lapw, no modifications.
> The software compiles without error. Upon running the software, either
> through the web interface or using run_lapw in the case directory,
> lapw0 completes successfully and then I receive:
>
> LAPW0 END
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> IMAGE                           PC
>     ROUTINE                              LINE
>       SOURCE
>
> libmkl_mc3.so                 00002B0321624A30               Unknown
>                              Unknown                          Unknown
>
>> stop error
> According to the intel compiler documentation, the libmkl_mc3 library
> is a kernel library specifically for core i7 type processors, which
> the Xeon 5500s are. I do not link specifically to libmkl_mc3.so
> anywhere as I am using the default options. I can report that this
> error does not occur on i3 or i5 processors. Any thoughts on how to
> remedy this situation?
>
> Thank you.
> ----------------------------------------------------------------------------
> Aaron Sutton
> Ph.D. Candidate | University of Toronto
> Office: McLennan MP090 | Phone: +1 416 946 3639
> Email: asutton at physics.utoronto.ca
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